N-[methylsulfonyl(piperidin-4-yl)methyl]-1-(3-nitrophenyl)-N-propyl-propan-2-amine

Systemtic Name: N-[methylsulfonyl(piperidin-4-yl)methyl]-1-(3-nitrophenyl)-N-propyl-propan-2-amine Openeye Name: N-[methylsulfonyl(4-piperidyl)methyl]-1-(3-nitrophenyl)-N-propyl-propan-2-amine CAS Name: N-[methylsulfonyl(4-piperidinyl)methyl]-1-(3-nitrophenyl)-N-propyl-2-propanamine IUPAC Name: N-[methylsulfonyl(piperidin-4-yl)methyl]-1-(3-nitrophenyl)-N-propylpropan-2-amine Traditional Name: [mesyl(4-piperidyl)methyl]-[1-methyl-2-(3-nitrophenyl)ethyl]-propyl-amine Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)CC1=CC(=CC=C1)[N+](=O)[O-])C(C2CCNCC2)S(=O)(=O)C

Isomeric SMILES

CCCN(C(C)CC1=CC(=CC=C1)[N+](=O)[O-])C(C2CCNCC2)S(=O)(=O)C

InChI

InChI=1S/C19H31N3O4S/c1-4-12-21(19(27(3,25)26)17-8-10-20-11-9-17)15(2)13-16-6-5-7-18(14-16)22(23)24/h5-7,14-15,17,19-20H,4,8-13H2,1-3H3